NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9249 8.3016 109.1168 45.1094 0.0000 173.8901 4 D 4.2647 8.3894 125.8976 52.7154 42.8557 175.0715 5 K 3.9662 9.4183 128.6216 59.5906 32.7151 178.6815 6 K 4.1677 8.1403 118.3001 58.8454 32.0235 179.3671 7 V 3.6465 8.3274 118.9613 66.1069 31.5094 177.9086 8 I 3.6842 7.7417 119.4256 64.6740 36.9910 178.3908 9 Q 3.9734 7.9934 118.5252 59.2684 28.5509 178.5667 10 H 4.1582 8.4213 117.4172 58.9879 28.7277 177.8178 11 L 4.0484 8.6307 120.9861 58.0082 41.3581 179.4403 12 N 4.3595 8.7596 116.7527 55.8152 38.3737 177.5475 13 K 3.9188 8.0826 121.3360 59.5189 32.2858 178.8699 14 I 3.6806 7.7732 120.1170 64.2762 37.0116 177.9911 15 L 4.0178 8.1788 121.3021 58.2485 41.7741 179.0501 16 G 3.7525 8.3197 105.7789 48.1964 0.0000 175.2753 17 N 4.3647 8.0934 118.7113 56.1078 38.4781 177.4308 18 E 3.9515 8.4636 120.1836 59.3285 29.0412 179.4253 19 L 4.0826 8.0105 119.2030 57.5860 41.5928 179.6459 20 I 3.6255 7.5573 119.5288 64.3041 37.1051 178.1515 21 A 3.2787 7.9852 121.7612 54.9493 18.0181 179.6379 22 I 3.6031 7.7770 118.2653 64.7498 37.2470 178.5000 23 N 4.3463 7.7090 116.5135 56.1604 38.3561 177.3975 24 Q 3.8045 8.2808 121.3064 59.5650 29.1771 177.9235 25 Y 4.7963 8.0885 119.3741 60.5044 37.8436 178.5259 26 F 3.8360 8.5688 121.8762 61.1183 39.4771 176.9929 27 L 3.9987 8.1349 120.0372 58.4229 41.8119 178.6311 28 H 3.7914 8.2019 116.1662 58.7194 28.5466 177.2785 29 S 4.3116 8.2602 115.1473 62.1210 62.0484 176.8256 30 R 3.8974 7.8402 120.0009 58.9572 29.7173 179.0583 31 M 3.4681 7.9988 119.0595 57.9318 31.8817 178.6534 32 W 4.5687 8.0612 119.3799 60.0533 29.2440 178.2801 33 N 4.4079 8.6061 116.7371 56.4308 37.7346 176.9243 34 D 4.3475 8.0139 118.6804 56.9918 41.4048 177.7222 35 W 4.8394 8.1399 117.1949 57.1572 29.1800 177.0484 36 G 3.9600 8.3765 107.9099 46.1026 0.0000 174.1660 37 L 4.9467 7.8617 120.3502 52.9834 40.6716 177.6388 38 K 3.9873 8.2839 121.6641 59.1663 32.3982 179.2047 39 R 3.8987 7.8856 119.0111 59.2891 30.0120 178.4896 40 L 3.8126 7.7563 118.4928 57.5076 41.4948 179.5083 41 G 3.7705 8.3555 105.7610 47.8329 0.0000 175.6392 42 A 3.9883 8.4766 123.9135 55.0878 18.4707 179.0894 43 H 3.9669 8.1982 116.8526 59.5330 29.6128 177.0739 44 E 4.0242 8.5299 121.0229 58.9845 29.3959 178.0298 45 Y 3.9172 8.0016 119.9484 61.0193 38.8174 177.9068 46 H 3.9905 8.0976 117.0315 58.6922 28.7457 177.6364 47 E 3.8040 8.0396 120.4426 59.3144 29.2421 179.1898 48 S 4.2947 8.1969 113.0993 61.7099 62.5275 176.3161 49 I 3.6164 7.7906 122.6538 64.5021 36.7914 178.2007 50 D 4.2753 8.2220 119.7438 57.2743 40.5101 178.6015 51 E 4.2475 8.2155 120.4823 59.0859 29.4736 179.1350 52 M 4.0179 8.0743 118.6665 58.5501 32.0798 179.0367 53 K 3.9888 7.9180 118.2363 59.7678 32.2010 179.2187 54 H 4.2924 8.1513 116.2841 58.7189 28.5449 177.6163 55 A 4.0108 8.3737 123.0008 55.1668 18.1574 179.1258 56 D 4.2591 8.1039 116.3860 57.6226 41.3609 178.7608 57 K 4.0123 8.1898 118.9011 59.1856 31.8986 179.3474 58 L 3.9907 8.0781 119.3470 57.9505 41.7395 179.4111 59 I 3.7028 8.0581 119.9633 64.7316 37.0778 178.3881 60 E 4.0353 8.3900 119.2529 59.2580 29.1626 179.4868 61 R 3.9785 8.1473 118.8447 59.4889 30.1551 178.3577 62 I 3.7095 8.0439 119.9310 64.7188 37.0896 178.3940 63 L 4.0626 7.9516 119.2254 57.5486 41.2646 179.1504 64 F 4.2856 8.0927 119.9219 61.2337 39.3714 176.4539 65 L 3.8945 8.2456 116.6667 53.9692 41.3631 176.7953 66 E 3.5259 7.9456 116.2972 57.1921 28.5990 174.8774 67 G 3.8635 8.1591 108.2734 45.4824 0.0000 173.7817 68 L 4.5306 7.9907 119.0083 51.9855 42.2430 175.2532 69 P 4.3375 0.0000 0.0000 62.4793 31.7738 175.9035 70 N 4.6608 9.4751 122.5283 52.5554 38.4757 174.1734 71 L 4.6032 8.3266 124.3425 54.5473 42.4586 177.3384 72 Q 4.0795 8.4074 121.5078 57.6113 29.3964 175.3854 73 D 4.5995 8.1362 117.8382 52.8127 41.1039 175.2051 74 L 4.5145 8.2813 126.8942 52.7661 43.4602 176.8418 75 G 3.8270 8.3447 115.8020 44.8587 0.0000 171.5291 76 K 4.2017 8.2999 120.4550 55.4647 32.8304 176.9365 77 L 4.1302 8.3345 126.3141 54.4742 42.3116 176.9883 78 L 4.4063 8.8367 123.9744 53.4338 40.9063 175.4570 79 I 4.3214 8.0432 124.3828 59.3203 38.3133 176.6556 80 G 3.9796 8.6941 114.5985 45.1620 0.0000 172.7654 81 E 4.6906 8.5040 117.0004 56.0119 30.8165 175.9551 82 N 4.9623 7.6157 116.1042 50.8751 41.3905 175.2153 83 T 4.4278 8.5738 116.6761 67.0349 68.5784 176.6172 84 Q 4.0087 8.1914 118.9688 59.5801 28.3922 178.5211 85 E 3.9921 8.9724 121.0097 59.2086 29.5307 179.1266 86 M 3.9390 8.7609 119.0718 58.3564 31.9326 178.8339 87 L 4.1732 8.3285 119.0551 57.9949 41.7808 179.2976 88 Q 3.9886 8.1558 119.4420 59.3829 28.9414 178.1731 89 C 4.1840 8.4946 117.9794 63.1004 28.2525 175.8329 90 D 4.6776 8.4123 120.3986 57.2718 40.2945 178.7458 91 L 3.9449 8.1380 120.9155 58.2798 42.1646 178.6337 92 N 4.3127 8.4917 116.8060 56.3294 38.4233 177.0049 93 L 3.9853 8.1367 121.5592 58.2921 42.0803 179.0251 94 E 4.0301 8.2906 118.3862 59.4221 29.5297 179.0449 95 L 3.9766 8.1844 119.2818 57.9106 41.6972 179.6731 96 K 3.9638 8.1810 119.1523 59.3688 32.0703 178.7921 97 A 4.0328 8.1789 121.2579 55.5668 18.3208 179.8199 98 T 3.8511 8.2617 114.5574 66.3860 68.5624 177.0152 99 K 3.9499 7.9540 121.5433 59.6093 32.1865 178.6164 100 D 4.3884 8.1543 119.1333 57.4003 40.6892 178.5914 101 L 3.9844 8.1862 119.6620 58.1023 41.6435 179.9618 102 R 3.9296 7.8648 117.3339 59.3261 29.9347 179.0251 103 E 3.9970 8.1674 117.7598 59.2120 29.4308 179.2351 104 A 3.6134 8.2488 121.3085 54.8337 18.3598 179.8492 105 I 3.6530 7.8911 118.7483 64.3982 37.1860 178.5198 106 V 3.5770 7.8233 119.1564 66.4100 31.2935 177.5779 107 H 4.0379 7.9839 117.3446 59.4616 29.7484 176.7946 108 C 3.9594 8.0057 118.5660 62.9137 28.0221 175.8208 109 E 3.9265 8.1730 120.9235 59.3215 29.0377 178.8515 110 Q 4.0904 7.7205 116.4118 58.5483 28.9030 177.5954 111 V 3.8277 7.2285 112.1285 60.6412 31.7012 175.5714 112 H 3.0905 7.3843 114.2750 57.1148 26.6443 176.2026 113 D 4.5046 7.8404 121.0394 53.4770 38.7566 175.4551 114 Y 4.3657 7.5137 121.7484 60.1837 38.3836 177.4416 115 V 3.7123 7.8690 119.2305 65.9878 31.7156 178.0769 116 S 4.1741 8.4412 115.0634 61.4189 62.5270 176.6654 117 R 3.8814 7.8214 121.0863 59.4580 29.9870 178.1483 118 D 4.2514 8.1145 117.7899 57.0769 41.2250 177.6259 119 L 3.9523 8.0575 120.9767 58.4949 42.0668 179.1520 120 L 4.0134 8.1570 118.7616 57.6279 41.5370 179.4065 121 K 3.9904 8.8016 120.2437 59.5326 31.9469 178.6146 122 D 4.4142 8.0036 119.0395 57.1590 40.8139 178.7557 123 I 3.5422 7.7746 120.5149 64.0494 36.9290 178.2623 124 L 3.9515 7.9557 121.3515 58.0301 41.9488 178.3627 125 E 3.9078 8.2913 119.3632 59.6259 29.4819 178.9208 126 S 4.1864 7.9089 113.0914 61.3335 62.3967 175.9783 127 E 4.1126 8.4186 121.4527 59.3884 29.1070 179.0898 128 E 4.0245 8.5919 119.0424 59.4054 29.4971 179.2921 129 E 4.0045 8.3386 118.7428 59.6522 29.5104 178.7720 130 H 4.3561 8.4715 118.3050 59.4492 29.8556 177.2931 131 I 3.7119 8.1798 122.0074 64.3426 36.9041 177.8444 132 D 4.3299 8.4515 119.0656 57.5487 41.0224 177.6469 133 Y 4.1064 8.2133 119.9649 60.6934 38.7854 178.2150 134 L 3.7682 8.2344 119.8746 57.8271 41.7176 179.2818 135 E 3.9278 8.4930 118.9213 59.6096 29.2981 179.4759 136 T 3.7907 7.9091 115.7034 66.8509 68.5628 176.6522 137 Q 3.8140 7.8673 119.8799 58.7133 28.3806 178.7723 138 L 3.8700 7.8508 120.1221 57.7950 41.7073 179.8499 139 G 3.5858 8.2490 105.8013 47.7513 0.0000 175.7416 140 L 4.0462 7.9589 121.3527 57.5561 41.7107 179.3091 141 I 3.5425 7.4128 119.8096 64.5045 36.7363 178.4836 142 Q 3.9396 7.4361 117.4798 59.0250 28.6715 178.6899 143 K 4.1677 7.8916 118.1315 58.4119 32.2187 178.8143 144 V 4.3039 8.0697 109.7461 59.5662 33.5189 176.7965 145 G 4.1291 7.6349 104.9195 45.8579 0.0000 174.5159 146 L 3.9851 8.3705 121.9815 57.9380 42.0979 179.4314 147 E 3.9742 8.1052 118.1422 59.4451 29.5483 178.7588 148 N 4.3051 8.1563 116.0599 56.4186 38.4202 176.6062 149 Y 3.9504 7.9793 119.8616 60.6827 39.1552 177.8342 150 L 4.0684 8.2154 119.9345 57.7967 41.8824 178.9783 151 Q 3.9014 8.1550 119.5753 59.5968 28.7373 178.6578 152 S 4.3189 7.7876 112.7565 59.9999 63.2388 174.4151 153 H 4.6140 7.8301 118.7849 55.6210 29.4477 176.0497 154 M 4.2266 7.9769 121.0321 57.6776 31.9482 176.0870 155 H 4.9710 7.6253 114.0284 53.9057 30.6872 174.8029 156 E 4.1378 8.6897 121.6815 56.7677 29.3159 176.8025 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 G 8.30 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.39 4.26 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.42 3.97 0.00 1.94 1.77 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.50 1.10 7.81 6 K 8.14 4.17 0.00 1.93 1.58 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 V 8.33 3.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.98 0.00 0.00 8 I 7.74 3.68 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.53 0.90 0.00 0.00 9 Q 7.99 3.97 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 10 H 8.42 4.16 0.00 3.42 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.63 4.05 0.00 1.81 1.74 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.76 4.36 0.00 2.82 2.86 0.00 0.00 6.66 8.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.08 3.92 0.00 1.89 1.99 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.32 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.77 3.68 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.73 0.92 0.00 0.00 15 L 8.18 4.02 0.00 1.84 1.90 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.32 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.09 4.36 0.00 2.91 2.88 0.00 0.00 7.06 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.46 3.95 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 19 L 8.01 4.08 0.00 1.78 1.68 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.56 3.63 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.86 0.00 0.00 21 A 7.99 3.28 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.78 3.60 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.88 0.00 0.00 23 N 7.71 4.35 0.00 2.88 2.82 0.00 0.00 6.74 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.28 3.80 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 25 Y 8.09 4.80 0.00 3.04 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.57 3.84 0.00 3.33 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.13 4.00 0.00 1.84 1.61 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.20 3.79 0.00 3.54 2.89 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.26 4.31 0.00 3.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.84 3.90 0.00 1.90 1.89 0.00 3.00 0.00 0.00 2.72 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 31 M 8.00 3.47 0.00 0.89 1.68 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.15 0.00 32 W 8.06 4.57 0.00 3.67 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.61 4.41 0.00 2.84 2.86 0.00 0.00 6.69 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.01 4.35 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.14 4.84 0.00 3.74 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.38 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.86 4.95 0.00 1.95 1.60 1.29 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.28 3.99 0.00 1.92 1.87 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.61 7.81 39 R 7.89 3.90 0.00 2.05 1.97 0.00 3.16 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.76 3.81 0.00 1.25 0.13 0.28 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.36 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.48 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.20 3.97 0.00 3.25 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.53 4.02 0.00 2.51 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.66 0.00 45 Y 8.00 3.92 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.10 3.99 0.00 3.28 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.04 3.80 0.00 1.90 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 48 S 8.20 4.29 0.00 4.08 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.79 3.62 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.53 0.85 0.00 0.00 50 D 8.22 4.28 0.00 2.81 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.22 4.25 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.52 0.00 52 M 8.07 4.02 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 53 K 7.92 3.99 0.00 1.86 1.81 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 54 H 8.15 4.29 0.00 3.40 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.37 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.10 4.26 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.19 4.01 0.00 2.01 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.68 7.81 58 L 8.08 3.99 0.00 1.87 1.73 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.06 3.70 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.25 0.92 0.00 0.00 60 E 8.39 4.04 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 61 R 8.15 3.98 0.00 2.07 2.11 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.04 3.71 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 0.97 0.00 0.00 63 L 7.95 4.06 0.00 2.01 1.77 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.09 4.29 0.00 2.98 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.25 3.89 0.00 1.84 1.62 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.95 3.53 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 67 G 8.16 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.99 4.53 0.00 1.62 1.62 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.34 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.48 4.66 0.00 2.61 2.84 0.00 0.00 7.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.33 4.60 0.00 1.62 1.63 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.41 4.08 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.14 4.60 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.28 4.51 0.00 1.53 1.53 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.34 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.30 4.20 0.00 1.70 1.71 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.51 7.81 77 L 8.33 4.13 0.00 1.63 1.54 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.84 4.41 0.00 1.74 1.68 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.04 4.32 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.90 0.00 0.00 80 G 8.69 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.50 4.69 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 82 N 7.62 4.96 0.00 2.94 2.84 0.00 0.00 6.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.57 4.43 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 84 Q 8.19 4.01 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.66 2.40 0.00 85 E 8.97 3.99 0.00 2.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 86 M 8.76 3.94 0.00 1.38 2.24 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.87 0.00 87 L 8.33 4.17 0.00 1.91 1.75 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.16 3.99 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 89 C 8.49 4.18 0.00 3.32 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.41 4.68 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.14 3.94 0.00 1.86 1.86 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.49 4.31 0.00 2.93 2.89 0.00 0.00 6.71 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.14 3.99 0.00 1.98 1.95 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.29 4.03 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 95 L 8.18 3.98 0.00 1.82 1.75 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.18 3.96 0.00 1.90 1.99 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.24 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.18 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.26 3.85 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 99 K 7.95 3.95 0.00 1.87 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.49 7.81 100 D 8.15 4.39 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.19 3.98 0.00 1.84 1.74 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.86 3.93 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 103 E 8.17 4.00 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 104 A 8.25 3.61 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.89 3.65 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.93 0.00 0.00 106 V 7.82 3.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 107 H 7.98 4.04 0.00 3.26 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.01 3.96 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.17 3.93 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 110 Q 7.72 4.09 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 111 V 7.23 3.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.86 0.00 0.00 112 H 7.38 3.09 0.00 3.16 3.16 0.00 5.66 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.84 4.50 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.51 4.37 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.87 3.71 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.44 4.17 0.00 4.27 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.82 3.88 0.00 1.94 2.21 0.00 3.23 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.11 4.25 0.00 3.04 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.06 3.95 0.00 1.89 1.92 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.16 4.01 0.00 1.93 1.71 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.80 3.99 0.00 1.96 1.99 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.35 7.81 122 D 8.00 4.41 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.77 3.54 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.86 0.00 0.00 124 L 7.96 3.95 0.00 1.87 1.87 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.29 3.91 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 126 S 7.91 4.19 0.00 3.95 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.42 4.11 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 128 E 8.59 4.02 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 129 E 8.34 4.00 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 130 H 8.47 4.36 0.00 3.25 3.50 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.18 3.71 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.93 0.00 0.00 132 D 8.45 4.33 0.00 2.82 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.21 4.11 0.00 3.17 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.23 3.77 0.00 2.07 1.67 1.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.49 3.93 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 136 T 7.91 3.79 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 137 Q 7.87 3.81 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 1.44 1.84 0.00 138 L 7.85 3.87 0.00 1.90 1.62 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.25 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.96 4.05 0.00 1.85 1.88 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.41 3.54 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.01 0.80 0.00 0.00 142 Q 7.44 3.94 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 143 K 7.89 4.17 0.00 1.76 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.76 7.81 144 V 8.07 4.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.13 0.00 0.00 145 G 7.63 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.37 3.99 0.00 1.76 1.68 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.11 3.97 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 148 N 8.16 4.31 0.00 3.08 2.89 0.00 0.00 6.73 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.98 3.95 0.00 3.02 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.22 4.07 0.00 1.75 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.16 3.90 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 7.79 4.32 0.00 3.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.83 4.61 0.00 3.02 3.05 0.00 5.81 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.98 4.23 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.44 0.00 155 H 7.63 4.97 0.00 3.09 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.69 4.14 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00